Match Partial charge 2
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Run spack_foss-2022a_serial_debug >
Input 16-scfinlcao_std.01-gs.inp
| Value | Reference | Precision | Status |
| 9.320000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)